ghemical-2.99.2-6-rosa.lts2012.0.x86_64.rpm


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Description

ghemical - Molecular mechanics and quantum mechanics frontend for GNOME

Property Value
Distribution ROSA Enterprise Desktop
Repository ROSA Contrib Updates x86_64
Package name ghemical
Package version 2.99.2
Package release 6-rosa.lts2012.0
Package architecture x86_64
Package type rpm
Installed size 2.68 MB
Download size 1.71 MB
Official Mirror mirror.rosalab.ru
Ghemical is a computational chemistry application.
Ghemical is written in C++. It has a graphical user interface (in fact,
a couple of them), and it supports both quantum-mechanics (semi-empirical
and ab initio) models and molecular mechanics models (there is an experimental
Tripos 5.2-like force field for organic molecules). Also a tool for reduced
protein models is included. Geometry optimization, molecular dynamics
and a large set of visualization tools are currently available.

Alternatives

Package Version Architecture Repository
ghemical-2.99.2-6-rosa.lts2012.0.x86_64.rpm 2.99.2 x86_64 ROSA Contrib
ghemical-2.99.2-6-rosa.lts2012.0.i586.rpm 2.99.2 i586 ROSA Contrib Updates
ghemical - - -

Requires

Name Value
desktop-file-utils -
libGL.so.1()(64bit) -
libGLU.so.1()(64bit) -
libc.so.6()(64bit) -
libc.so.6(GLIBC_2.2.5)(64bit) -
libc.so.6(GLIBC_2.3.4)(64bit) -
libc.so.6(GLIBC_2.4)(64bit) -
libgcc_s.so.1()(64bit) -
libgcc_s.so.1(GCC_3.0)(64bit) -
libgdk-x11-2.0.so.0()(64bit) -
libgdk_pixbuf-2.0.so.0()(64bit) -
libgdkglext-x11-1.0.so.0()(64bit) -
libghemical-data >= 2.99.1
libghemical.so.5()(64bit) -
libglade-2.0.so.0()(64bit) -
libglib-2.0.so.0()(64bit) -
libgobject-2.0.so.0()(64bit) -
libgthread-2.0.so.0()(64bit) -
libgtk-x11-2.0.so.0()(64bit) -
libgtkglext-x11-1.0.so.0()(64bit) -
libm.so.6()(64bit) -
libm.so.6(GLIBC_2.2.5)(64bit) -
liboglappth.so.2()(64bit) -
libopenbabel.so.4()(64bit) -
libpango-1.0.so.0()(64bit) -
libpthread.so.0()(64bit) -
libpthread.so.0(GLIBC_2.2.5)(64bit) -
libstdc++.so.6()(64bit) -
libstdc++.so.6(GLIBCXX_3.4)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.11)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.15)(64bit) -
libstdc++.so.6(GLIBCXX_3.4.9)(64bit) -

Provides

Name Value
ghemical == 2.99.2-6:2012.0

Download

Type URL
Binary Package ghemical-2.99.2-6-rosa.lts2012.0.x86_64.rpm
Source Package ghemical-2.99.2-6.src.rpm

Install Howto

  1. Enable ROSA Contrib Updates repository on Install and Remove Software"
  2. Update packages list:
    # urpmi.update -a
  3. Install ghemical rpm package:
    # urpmi ghemical

Files

Path
/usr/bin/ghemical
/usr/share/applications/mandriva-ghemical.desktop
/usr/share/doc/ghemical/AUTHORS
/usr/share/doc/ghemical/ChangeLog
/usr/share/doc/ghemical/NEWS
/usr/share/doc/ghemical/README
/usr/share/doc/ghemical/TODO
/usr/share/ghemical/
/usr/share/ghemical/2.99.2/
/usr/share/ghemical/2.99.2/examples/2-chlorobutane.gpr
/usr/share/ghemical/2.99.2/examples/3-phenylpropanal.gpr
/usr/share/ghemical/2.99.2/examples/PeriodicTable.gpr
/usr/share/ghemical/2.99.2/examples/acetylsalicylic_acid.gpr
/usr/share/ghemical/2.99.2/examples/alpha-pinene.gpr
/usr/share/ghemical/2.99.2/examples/bromobenzene.gpr
/usr/share/ghemical/2.99.2/examples/camphor.gpr
/usr/share/ghemical/2.99.2/examples/cinnamaldehyde.gpr
/usr/share/ghemical/2.99.2/examples/cis-2-pentene.gpr
/usr/share/ghemical/2.99.2/examples/cyclohexane.gpr
/usr/share/ghemical/2.99.2/examples/dna_AGTC.gpr
/usr/share/ghemical/2.99.2/examples/naphtalene.gpr
/usr/share/ghemical/2.99.2/examples/rna_aguc.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/
/usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/E2-reaction/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/SN2-reaction/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_hydride_shift/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/carbocation_rearrangement_methide_shift/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/cycloaddition_Diels-Alder/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/sigmatropic_rearrangement_Cope/ts.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/products.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/reactants.gpr
/usr/share/ghemical/2.99.2/examples/transition_state_search/tautomeric_shift_keto_enol/ts.gpr
/usr/share/ghemical/2.99.2/glade/gtk_file_export_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_file_import_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_geomopt_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_moldyn_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_progress_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_setup_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_stereo_dialog.glade
/usr/share/ghemical/2.99.2/glade/gtk_trajview_dialog.glade
/usr/share/ghemical/2.99.2/pixmaps/angle.xpm
/usr/share/ghemical/2.99.2/pixmaps/bond.xpm
/usr/share/ghemical/2.99.2/pixmaps/bondtype.xpm
/usr/share/ghemical/2.99.2/pixmaps/chain.xpm
/usr/share/ghemical/2.99.2/pixmaps/clipping.xpm
/usr/share/ghemical/2.99.2/pixmaps/dihedral.xpm
/usr/share/ghemical/2.99.2/pixmaps/distance.xpm
/usr/share/ghemical/2.99.2/pixmaps/draw.xpm
/usr/share/ghemical/2.99.2/pixmaps/element.xpm
/usr/share/ghemical/2.99.2/pixmaps/erase.xpm
/usr/share/ghemical/2.99.2/pixmaps/ghemical.png
/usr/share/ghemical/2.99.2/pixmaps/invert.xpm
/usr/share/ghemical/2.99.2/pixmaps/measure.xpm
/usr/share/ghemical/2.99.2/pixmaps/molecule.xpm
/usr/share/ghemical/2.99.2/pixmaps/orbit_xy.xpm
/usr/share/ghemical/2.99.2/pixmaps/orbit_z.xpm
/usr/share/ghemical/2.99.2/pixmaps/residue.xpm
/usr/share/ghemical/2.99.2/pixmaps/rotate_xy.xpm
/usr/share/ghemical/2.99.2/pixmaps/rotate_z.xpm
/usr/share/ghemical/2.99.2/pixmaps/select.xpm
/usr/share/ghemical/2.99.2/pixmaps/setup.xpm
/usr/share/ghemical/2.99.2/pixmaps/transl_xy.xpm
/usr/share/ghemical/2.99.2/pixmaps/transl_z.xpm
/usr/share/ghemical/2.99.2/pixmaps/zoom.xpm
/usr/share/ghemical/2.99.2/user-docs/MD.html
/usr/share/ghemical/2.99.2/user-docs/MD_viewer.html
/usr/share/ghemical/2.99.2/user-docs/aa_table.html
/usr/share/ghemical/2.99.2/user-docs/add_hydrogens.html
/usr/share/ghemical/2.99.2/user-docs/conf_search_tools.html
/usr/share/ghemical/2.99.2/user-docs/documentation.css
/usr/share/ghemical/2.99.2/user-docs/energy_vs_torsion.html
/usr/share/ghemical/2.99.2/user-docs/filetypes.html
/usr/share/ghemical/2.99.2/user-docs/formula.html
/usr/share/ghemical/2.99.2/user-docs/geometry_optimization.html
/usr/share/ghemical/2.99.2/user-docs/import_types.html
/usr/share/ghemical/2.99.2/user-docs/index.html
/usr/share/ghemical/2.99.2/user-docs/introduction.html
/usr/share/ghemical/2.99.2/user-docs/labels.html
/usr/share/ghemical/2.99.2/user-docs/measure.html
/usr/share/ghemical/2.99.2/user-docs/perspective.html
/usr/share/ghemical/2.99.2/user-docs/references.html
/usr/share/ghemical/2.99.2/user-docs/ribbon.html
/usr/share/ghemical/2.99.2/user-docs/sequence_builder.html
/usr/share/ghemical/2.99.2/user-docs/setup_dialog.html
/usr/share/ghemical/2.99.2/user-docs/using_mm.html
/usr/share/ghemical/2.99.2/user-docs/using_qm.html
/usr/share/ghemical/2.99.2/user-docs/using_sf.html
/usr/share/ghemical/2.99.2/user-docs/visualization.html
/usr/share/ghemical/2.99.2/user-docs/images/2atoms_unbonded.png
/usr/share/ghemical/2.99.2/user-docs/images/aa_builder_ci.png
/usr/share/ghemical/2.99.2/user-docs/images/aa_builder_menu.png
/usr/share/ghemical/2.99.2/user-docs/images/aa_builder_note.png
/usr/share/ghemical/2.99.2/user-docs/images/aa_builder_w_h.png
/usr/share/ghemical/2.99.2/user-docs/images/aa_builder_wo_h.png
/usr/share/ghemical/2.99.2/user-docs/images/add_hydrogens.png
/usr/share/ghemical/2.99.2/user-docs/images/add_hydrogens_select.png
/usr/share/ghemical/2.99.2/user-docs/images/change_bond_dialog.png
/usr/share/ghemical/2.99.2/user-docs/images/ci_plane.png
/usr/share/ghemical/2.99.2/user-docs/images/clipping1.png
/usr/share/ghemical/2.99.2/user-docs/images/clipping2.png
/usr/share/ghemical/2.99.2/user-docs/images/cyclohexane1.png
/usr/share/ghemical/2.99.2/user-docs/images/cyclohexane2.png
/usr/share/ghemical/2.99.2/user-docs/images/cyclohexane_optimized.png
/usr/share/ghemical/2.99.2/user-docs/images/cyclohexane_unoptimized.png
/usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion1.png
/usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion2.png
/usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion3.png
/usr/share/ghemical/2.99.2/user-docs/images/energy_vs_torsion4.png
/usr/share/ghemical/2.99.2/user-docs/images/enlevdiag.png
/usr/share/ghemical/2.99.2/user-docs/images/esp-plane_mm.png
/usr/share/ghemical/2.99.2/user-docs/images/esp-plane_qm.png
/usr/share/ghemical/2.99.2/user-docs/images/esp-plane_select.png
/usr/share/ghemical/2.99.2/user-docs/images/esp-plane_select_obj.png
/usr/share/ghemical/2.99.2/user-docs/images/formula.png
/usr/share/ghemical/2.99.2/user-docs/images/formula_select.png
/usr/share/ghemical/2.99.2/user-docs/images/geometry_op_dialog.png
/usr/share/ghemical/2.99.2/user-docs/images/geometry_optimization_select.png
/usr/share/ghemical/2.99.2/user-docs/images/labels_menu.png
/usr/share/ghemical/2.99.2/user-docs/images/mainmenu.png
/usr/share/ghemical/2.99.2/user-docs/images/maintools.png
/usr/share/ghemical/2.99.2/user-docs/images/md_dialog.png
/usr/share/ghemical/2.99.2/user-docs/images/modal.png
/usr/share/ghemical/2.99.2/user-docs/images/notebook.png
/usr/share/ghemical/2.99.2/user-docs/images/optimized_ethane.png
/usr/share/ghemical/2.99.2/user-docs/images/remove_hydrogens.png
/usr/share/ghemical/2.99.2/user-docs/images/ribbon.png
/usr/share/ghemical/2.99.2/user-docs/images/sequence_builder.png
/usr/share/ghemical/2.99.2/user-docs/images/setup1.png
/usr/share/ghemical/2.99.2/user-docs/images/setup2.png
/usr/share/ghemical/2.99.2/user-docs/images/setup_select.png
/usr/share/ghemical/2.99.2/user-docs/images/toplevel.png
/usr/share/ghemical/2.99.2/user-docs/images/traj_dialog.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_01.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_02.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_03.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_04.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_05.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_06.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_07.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_08.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_09.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_10.png
/usr/share/ghemical/2.99.2/user-docs/images/using_mm_11.png
/usr/share/ghemical/2.99.2/user-docs/images/window.png
/usr/share/icons/hicolor/16x16/apps/ghemical.png
/usr/share/icons/hicolor/32x32/apps/ghemical.png
/usr/share/icons/hicolor/48x48/apps/ghemical.png
/usr/share/locale/fi/LC_MESSAGES/ghemical.mo
/usr/share/locale/mk/LC_MESSAGES/ghemical.mo
/usr/share/locale/pt_BR/LC_MESSAGES/ghemical.mo
/usr/share/locale/sq/LC_MESSAGES/ghemical.mo

Changelog

2011-05-07 - Funda Wang <fwang@mandriva.org> 2.99.2-6mdv2011.0
+ Revision: 672312
- rebuild
2010-12-05 - Oden Eriksson <oeriksson@mandriva.com> 2.99.2-5mdv2011.0
+ Revision: 610852
- rebuild
2010-01-15 - J?r?me Brenier <incubusss@mandriva.org> 2.99.2-4mdv2010.1
+ Revision: 491810
-rebuild now that mpqc linkage issue is fixed
- fix desktop file
- use find_lang
2009-10-16 - Guillaume Bedot <littletux@mandriva.org> 2.99.2-3mdv2010.0
+ Revision: 457863
- fix buildrequires
- Add translations files
- New release
- fix buildrequires
- New release
- drop merged patch
- update license
2009-09-11 - Thierry Vignaud <tv@mandriva.org> 2.98-3mdv2010.0
+ Revision: 437686
- rebuild

See Also

Package Description
ghex-2.24.0-3-rosa.lts2012.0.x86_64.rpm GNOME Hexadecimal Editor
ghmm-0.90000001-3-rosa.lts2012.0.x86_64.rpm General Hidden Markov Model library
giFTcurs-0.6.2-7-rosa.lts2012.0.x86_64.rpm Cursed frontend to the giFT daemon
gif89encoder-0.90-0.b.2.0.6-rosa.lts2012.0.x86_64.rpm Java class library for encoding GIF's
gif89encoder-javadoc-0.90-0.b.2.0.6-rosa.lts2012.0.x86_64.rpm Javadoc for gif89encoder
gig-3.3.0-2-rosa.lts2012.0.x86_64.rpm C++ library for loading Gigasampler files
gigedit-0.2.0-1-rosa.lts2012.0.x86_64.rpm Instrument editor for gig files
giggle-0.5-2-rosa.lts2012.0.x86_64.rpm Gtk frontend for git
gimp-data-extras-2.0.2-3-rosa.lts2012.0.noarch.rpm The GNU Image Manipulation Program
gimp-dbp-1.1.8-2-rosa.lts2012.0.x86_64.rpm David's Batch Processor for The GIMP
gimp-lqr-plugin-0.7.1-1-rosa.lts2012.0.x86_64.rpm Content-aware image resize plug-in for GIMP
gimp-resynthesizer-0.16-3-rosa.lts2012.0.x86_64.rpm Gimp plug-in for texture synthesis
gimp2-freetype-0.6-6-rosa.lts2012.0.x86_64.rpm A GIMP font renderer based on the freetype library
gimp2-gap-2.6.0-3-rosa.lts2012.0.x86_64.rpm GAP (GIMP Animation Package), a video plug-in for GIMP
gimp2-pandora-0.9.2-3-rosa.lts2012.0.noarch.rpm GIMP plugin for making panoramas
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